SCHEMBL28537875

SCHEMBL28537875

N[C@H]1C=CC=C[C@]1(N)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.36
MAOA P21397 9/20 0.36
KDM1A O60341 6/20 0.33
PNMT P11086 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4236763 1.00 MAOB (0.36) MAOBMAOAKDM1APNMT
Urea SCHEMBL10593912 0.91 MAOB (0.32) MAOBMAOA
SCHEMBL28438820 0.82 ALDH1A1 (0.33)
SCHEMBL28445059 0.81
SCHEMBL30673902 0.81 MAOB (0.41) MAOBMAOAKDM1A
SCHEMBL28634401 0.81 MAOB (0.40) MAOBMAOA
SCHEMBL8752629 0.78 MAOB (0.32) MAOBMAOAKDM1APNMT
SCHEMBL2870312 0.77 MAOA (0.39) MAOBMAOAKDM1APNMT
SCHEMBL20840140 0.77 MAOB (0.45) MAOBMAOAKDM1A
SCHEMBL30561218 0.77 ALDH1A1 (0.34) MAOBKDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108516937-B Method for preparing chiral alpha-hydroxy-beta-keto ester compound by visible light-initiated aerobic Salan-copper catalyst 大连理工大学 2021-03-26 CN claimed
CN-108516937-B Method for preparing chiral alpha-hydroxy-beta-keto ester compound by visible light-initiated aerobic Salan-copper catalyst 大连理工大学 2021-03-26 CN disclosed